[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H25NO7S/c1-16-7-9-17(10-8-16)20(25)15-31-22(26)18-11-13-24(14-12-18)32(28,29)21-6-4-3-5-19(21)23(27)30-2/h3-10,18H,11-15H2,1-2H3